1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide

C17H21FN4O — CID 25487064

IUPAC1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c1-12(13-7-9-14(18)10-8-13)19-17(23)16-11-22(21-20-16)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,19,23)/t12-/m0/s1
InChIKeyGRMDZKQNPDZMDJ-LBPRGKRZSA-N
MW316.38 g/mol
LogP3.41
Rot. Bonds4

About 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide

1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide (PubChem CID 25487064) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
PubChem CID25487064
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c1-12(13-7-9-14(18)10-8-13)19-17(23)16-11-22(21-20-16)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,19,23)/t12-/m0/s1
InChIKeyGRMDZKQNPDZMDJ-LBPRGKRZSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
CID 81356647
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119735222
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815206
[(1R)-1-[(1-cyclohexyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155512795
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
CID 119897450
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
ethyl 3-(4-fluorophenyl)-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119755341
1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
CID 95722766
1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide
CID 81404648

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide (CID 25487064) is 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide is C[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1ccc(F)cc1.
What is the InChIKey of 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide?
The InChIKey is GRMDZKQNPDZMDJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12(13-7-9-14(18)10-8-13)19-17(23)16-11-22(21-20-16)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,19,23)/t12-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide?
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 25487064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).